1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one

C12H17N5OS — CID 110405231

IUPAC1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nn3c(C)nnc3s2)CC1
InChIInChI=1S/C12H17N5OS/c1-3-10(18)16-6-4-9(5-7-16)11-15-17-8(2)13-14-12(17)19-11/h9H,3-7H2,1-2H3
InChIKeyRVTDYDCLVCQQIF-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.61
Rot. Bonds2

About 1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one

1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one (PubChem CID 110405231) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one
PubChem CID110405231
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nn3c(C)nnc3s2)CC1
InChIInChI=1S/C12H17N5OS/c1-3-10(18)16-6-4-9(5-7-16)11-15-17-8(2)13-14-12(17)19-11/h9H,3-7H2,1-2H3
InChIKeyRVTDYDCLVCQQIF-UHFFFAOYSA-N
XLogP1.61
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]ethanone
CID 110405265
[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone
CID 110405244
1-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one
CID 110405340
(3,4-dichlorophenyl)-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
CID 110405257
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid
CID 103551589
(2-methoxyphenyl)-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
CID 110405253
6-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 110405331
3-methyl-6-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 110405335
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]acetamide
CID 24870599
1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71683914
1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 126758367

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one (CID 110405231) is 1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2nn3c(C)nnc3s2)CC1.
What is the InChIKey of 1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one?
The InChIKey is RVTDYDCLVCQQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-3-10(18)16-6-4-9(5-7-16)11-15-17-8(2)13-14-12(17)19-11/h9H,3-7H2,1-2H3.
What are the key properties of 1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one?
1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one has a molecular weight of 279.37 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110405231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).